CID 63766

35739-54-9

Structural Information

Molecular Formula
C18H23N3O2
SMILES
CCN(CC)CC#CCN1C=NC2=C(C1=O)C=CC(=C2)OCC
InChI
InChI=1S/C18H23N3O2/c1-4-20(5-2)11-7-8-12-21-14-19-17-13-15(23-6-3)9-10-16(17)18(21)22/h9-10,13-14H,4-6,11-12H2,1-3H3
InChIKey
ZQQMBUHHEIPJEH-UHFFFAOYSA-N
Compound name
3-[4-(diethylamino)but-2-ynyl]-7-ethoxyquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.17902 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.18630 173.3
[M+Na]+ 336.16824 182.6
[M-H]- 312.17174 173.6
[M+NH4]+ 331.21284 185.0
[M+K]+ 352.14218 177.0
[M+H-H2O]+ 296.17628 157.8
[M+HCOO]- 358.17722 188.2
[M+CH3COO]- 372.19287 217.9
[M+Na-2H]- 334.15369 176.2
[M]+ 313.17847 172.6
[M]- 313.17957 172.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.